Lot numbers can be found on the outside label of a product:
4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid
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CAS No. 202197-73-7
- Cat. No. CS-0042771
- Purity≥98%
- MDL No.MFCD11983244
*For research and further manufacturing use only, not for direct human use.
Structure of 202197-73-7
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General Information
- CAS No. 202197-73-7
- Cat. No. CS-0042771
- Purity ≥98%
- MDL No. MFCD11983244
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆N₂O₃
- Molecular Weight 190.16
- Synonym(s) 3,4-DIHYDRO-4-OXOQUINAZOLINE-7-CARBOXYLIC ACID
- SMILES O=C(C1=CC(N=CN2)=C(C=C1)C2=O)O
Description
4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid features a fused bicyclic core with a ketone at C4 and a carboxylic acid at C7, delivering high solubility and stability under standard bench conditions. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibition and exhibits favorable pharmacokinetic properties in preclinical models.
Application
4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid serves as a versatile scaffold in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functional group transformations. Its stability and compatibility with common coupling reactions facilitate efficient derivatization for target-focused libraries. The carboxylic acid moiety supports direct amide formation and salt formation, enhancing solubility and handling. This compound functions as a key building block in the development of kinase inhibitors and other pharmacologically relevant architectures.
Synthesis
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Route1
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In-stock
10312-55-7 - ~80%
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In-stock
202197-73-7
References
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PAJOUHESH, Hassan; PAJOUHESH, Hossein; DING, Yanbing; TAN, Jason; GRIMWOOD, Mike; BELARDETTI, Francesco; KAUL, Ramesh Patent: US2008/280900 A1, 2008 ;
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Route2
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2050-44-4 - ~%
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In-stock
202197-73-7
References
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Journal of the American Chemical Society, , vol. 29, p. 86
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Route3
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99185-32-7 - ~%
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In-stock
202197-73-7
References
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Journal of the American Chemical Society, , vol. 29, p. 86
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 83.05
- LogP 0.6213
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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